N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide

C23H20N4O — CID 121377408

IUPACN-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
SMILESO=C(N[C@H](CNc1ncnc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4O/c28-23(18-11-5-2-6-12-18)27-21(17-9-3-1-4-10-17)15-24-22-19-13-7-8-14-20(19)25-16-26-22/h1-14,16,21H,15H2,(H,27,28)(H,24,25,26)/t21-/m1/s1
InChIKeyXXCKSHGQRYEDJI-OAQYLSRUSA-N
MW368.44 g/mol
LogP4.21
Rot. Bonds6

About N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide

N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide (PubChem CID 121377408) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
PubChem CID121377408
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
SMILESO=C(N[C@H](CNc1ncnc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4O/c28-23(18-11-5-2-6-12-18)27-21(17-9-3-1-4-10-17)15-24-22-19-13-7-8-14-20(19)25-16-26-22/h1-14,16,21H,15H2,(H,27,28)(H,24,25,26)/t21-/m1/s1
InChIKeyXXCKSHGQRYEDJI-OAQYLSRUSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
N-[(1S)-2-[(2-imidazo[1,2-a]pyridin-6-ylquinazolin-4-yl)amino]-1-phenylethyl]benzamide
CID 121377274
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
CID 121380379
N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
CID 121377431
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-benzamido-3-phenylpropanoic acid
CID 2834576
N-(1,2-diphenylethyl)quinazolin-4-amine
CID 67604516
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide?
The IUPAC name of N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide (CID 121377408) is N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide is O=C(N[C@H](CNc1ncnc2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide?
The InChIKey is XXCKSHGQRYEDJI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(18-11-5-2-6-12-18)27-21(17-9-3-1-4-10-17)15-24-22-19-13-7-8-14-20(19)25-16-26-22/h1-14,16,21H,15H2,(H,27,28)(H,24,25,26)/t21-/m1/s1.
What are the key properties of N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide?
N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide is sourced from PubChem (CID 121377408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).